3-[(Prop-2-en-1-yloxy)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

HCID 224166

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5424-81-7
Standard SMILES: C=CCOC(=O)C1C2C=CC(C2)C1C(=O)O
InChIKey: NAYPMICIEKVXEU-UHFFFAOYSA-N
Molecular formula: C12H14O4
Average molar mass: 222.24 g/mol
Monoisotopic mass: 222.08920892

Names & identifiers

Preferred name: 3-[(Prop-2-en-1-yloxy)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
IUPAC: 3-prop-2-enoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Names & synonyms

5424-81-73-((Allyloxy)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-[(prop-2-en-1-yloxy)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acidNSC12449SCHEMBL990584DTXSID40279359GAA28158NSC 12449NSC-124493-allyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-{[(Prop-2-en-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Database identifiers

CAS: 5424-81-7
PubChem CID: 224166
DTXSID: DTXSID40279359

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 358

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…